4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-benzoic acid

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-benzoic acid Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-benzoic acid CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methylbenzoic acid IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methylbenzoic acid Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-benzoic acid Formula: C17H17NO6S MolecularWeight: 363.38498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C17H17NO6S/c1-11-9-12(17(19)20)3-5-14(11)18-25(21,22)13-4-6-15-16(10-13)24-8-2-7-23-15/h3-6,9-10,18H,2,7-8H2,1H3,(H,19,20)